WEDNESDAY, September 28. (Institute of Organic Chemistry, Polish Academy of Sciences) (Chairman of the Organizing Committee)

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1 PROGRAMME IN DETAILS WEDNESDAY, September REGISTRATION (Institute of Organic Chemistry, Polish Academy of Sciences) OPENING CEREMONY 9:00 9:30 Jarosław Jaźwiński (Chairman of the Organizing Committee) SESSION I (Chairman: Sławomir Jarosz) Karol Jackowski 9:30 10:15 10:15 11:00 10:00 11:15 (Laboratory of NMR Spectroscopy, Faculty of Chemistry, University of Warsaw, Warsaw, Poland) EXPERIMENTAL STUDIES OF INTERMOLECULAR EFFECTS ON NUCLEAR MAGNETIC SHIELDING AND SPIN-SPIN COUPLING Radek Marek (CEITEC Central European Institute of Technology, Masaryk University, Brno, Czech Republic) CAN WE INTERPRET NMR SPECTRA OF PARAMAGNETIC SYSTEMS? SOME HINTS FOR RU(III) COMPLEXES Thomas Zellhofer (ROTOTEC SPINTEC GmbH, Kelkheim-Ruppertshain, Germany) THE NMR ACCESSORY RANGE OF ROTOTEC SPINTEC FL-1 FL-2 C-3 11:15 11:45 Coffee break SESSION II (Chairman: Michał Jaszuński) Michal Repisky, Stanislav Komorovsky, Kenneth Ruud (Centre for Theoretical and Computational Chemistry (CTCC) 11:45 12:30 12:30 13:00 Department of Chemistry, University of Tromsø The Arctic University of Norway, Tromsø, Norway) RECENT ADVANCES IN RELATIVISTIC CALCULATIONS OF NMR PARAMETERS: FROM THEORY TO APPLICATIONS Magdalena Pecul-Kudelska, Artur Wodyński, Olga Malkina, Katarzyna Jakubowska, Renata Kasprzyk (University of Warsaw, Faculty of Chemistry, Warsaw, Poland) RELATIVISTIC EFFECTS IN CALCULATION OF SPIN-SPIN COUPLING CONSTANTS FL-4 L-5

2 Michal Straka, Jan Vícha, Radek Marek, (Institute of Organic Chemistry and Biochemistry, Academy of Sciences of Czech Republic, Prague, Czech Republic) HIGH-FREQUENCY 13 C AND 29 Si CHEMICAL SHIFTS IN SUBVALENT Tl I AND Pb II COMPOUNDS L-6 13:30 14:30 Lunch SESSION III (Chairman: Michal Repisky) Lorenzo Di Bari 14:30 15:15 15:15 15:45 15:45 16:00 16:00 16:15 16:15 16:30 (Dipartimento di Chimica e Chimica industriale, Università di Pisa, Pisa, Italy) PARAMAGNETIC NMR METHODS FOR LANTHANIDE COMPLEXES Piotr Garbacz (Faculty of Chemistry, University of Warsaw, Warsaw, Poland) CHIRALITY-SENSITIVE EFFECTS INDUCED BY NUCLER RELAXATION IN AN ELECTRIC FIELD Alexandra Shchukina, Krzysztof Kazimierczuk (University of Warsaw, Centre of New Technologies, Warsaw, Poland) OVERCOMING LINE BROADENING IN REAL-TIME PURE-SHIFT NMR SPECTROSCOPY Rupashree Dass, Katarzyna Grudziąż, Takao Ishikawa, Krzysztof Kazimierczuk (Faculty of Chemistry, University of Warsaw, Warsaw, Poland) APPLICATION OF NUS TO MONITOR IN-VIVO PROCESSES Claudia Puchner, Thomas Eixelsberger, Lothar Brecker, Bernd Nidetzky (University of Vienna, Institute of Organic Chemistry, Wien, Austria) BINDING PATTERN STUDIES OF UDP-GLCUA AND DERIVATIVES TO HUMAN UDP-XYLOSE SYNTHASE AND UDP-APIOSE SYNTHASE FL-7 L-8 C-9 C-10 C-11 16:30 17:00 Break 17:00 21:00 Conference mixer

3 SESSION IV (Chairman: Graham A. Webb) Geoffroy Bodenhausen THURSDAY, September 29 9:00 9:45 9:45 10:30 10:30 10:45 10:45 11:15 (Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne, Lausanne, Switzerland) DRUG SCREENING BOOSTED BY HYPERPOLARIZED LONG-LIVED STATES Gerd Buntkowsky (Institute of Physical Chemistry, Technical University Darmstadt, Germany) REVEALING STRUCTURES OF HETEROGENOUS CATALYST BY DYNAMIC NUCLEAR POLARIZATION ENHANCED SOLID STATE NMR Jiquan Liu, Yeping Xu, Pedro B. Groszewicz, Torsten Gutmann, Gerd Buntkowsky (Eduard-Zintl-Institute for Inorganic Chemistry and Physical Chemistry, Technical University Darmstadt, Darmstadt, Germany) UNDERSTANDING OF IMMOBILIZED DIRHODIUM CATALYST VIA SOLID-STATE NMR Adolfo Botana JEOL (UK) Ltd., Sales Department in Poland JEOL (Europe) SAS JEOL NMR - HOW TO MAKE LIFE EASIER FL-12 FL-13 C-14 L-15 11:15 11:45 Coffee break SESSION V (Chairman: Lorenzo Di Bari) Marco Geppi, Marta Bonaccorsi, Silvia Borsacchi, Lucia Calucci, Elisa Carignani, Claudia Forte, Francesca Martini 11:45 12:30 12:30 13:00 (Department of Chemistry and Industrial Chemistry, University of Pisa, Pisa, Italy; ICCOM-CNR Pisa, Area della ricerca CNR, Pisa, Italy) MOLECULAR DYNAMICS AND PHASE TRANSFORMATIONS: FROM SOFT MATTER TO CRYSTALLINE SOLIDS Marta K. Dudek, Agata Jeziorna, Tomasz Pawlak, Piotr Paluch, Marek J. Potrzebowski (Centre of Molecular and Macromolecular Studies PAS, Structural Studies Department, Lodz, Poland) NMR CRYSTALLOGRAPHY FOR STUDYING DEHYDRATION PROCESSES OF MOLECULAR CRYSTALS FL-16 L-17

4 Piotr Paluch, Tomasz Pawlak, Julien Trébosc, Jean-Paul Amoureux, Marek J. Potrzebowski (Polish Academy of Sciences, Centre of Molecular and Macromolecular Studies, Lodz, Poland) APPLICATION OF 2D AND 3D CP-VC TECHNIQUES FOR MEASURING OF 1 H- 13 C, 1 H- 15 N, 1 H- 31 P DIPOLAR COUPLING AT ULTRA-FAST MAGIC ANGLE SPINNING Ewa Skorupska, Agata Jeziorna, Marek J. Potrzebowski (Centre of Molecular and Macromolecular Studies; Polish Academy of Sciences, Lodz, Poland) SOLID STATE NMR STUDIES OF PHARMACEUTICAL COCRYSTALS EMBEDDED IN MESOPOROUS SILICA NANOPARTICLE MATERIALS C-18 C-19 13:30 14:30 Lunch SESSION VI (Chairman: Lech Kozerski) Wiktor Koźmiński 14:30 15:15 15: (Faculty of Chemistry, Biological and Chemical Research Centre, University of Warsaw, Warsaw, Poland) HIGH RESOLUTION MULTTIDIMENSIONAL NMR SPECTROSCOPY OF BIOMOLECULES Leszek Królicki, Ewa Zalewska, Kamil Lorenc (Warsaw Medical University, Warsaw, Poland; Nalecz Institute of Biocybernetics and Biomedical Engineering, Polish Academy of Sciences Warsaw, Poland) MOLECULAR IMAGING IN CLINICAL PRACTICE - DNP-MRS VERSUS PET FL-20 FL :45 POSTER SESSION 17:45 18:00 Announcement of the results of the Young Scientists Contest 18:00. FREE EVENING

5 SESSION VII (Chairman: Marco Geppi) Jadwiga Tritt-Goc FRIDAY, September 30 9: :45 10: (Institute of Molecular Physics, Polish Academy of Sciences, Poznan, Poland) EFFECT OF GEL MATRIX CONFINEMENT ON SOLVENT DYNAMICS IN MOLECULAR GELS: NMR STUDIES Zdzisław T. Lalowicz (Institute of Nuclear Physics Polish Academy of Sciences, Krakow, Poland) DIVERSE DYNAMICS OF MOLECULES IN CONFINED SPACE OF ZEOLITE CAGES. A DEUTERON NMR INVESTIGATION Teobald Kupka, Marzena Jankowska, Michał Stachów, Klaudia Radula, Aneta Buczek, Małgorzata Broda, Arleta Stadniczuk, Agata Podgórna, Stephan P. A. Sauer, Jakub Kaminský, M. Khodam Hazrati, Nasser L. Hadipour (University of Opole, Faculty of Chemistry, Opole, Poland) FROM MEDIUM SIZE MOLECULES TO CARBON NANOSYSTEMS: THEORETICAL CHARACTERIZATION USING GIAO NMR CALCULATIONS Ján Tarábek, Eliška Procházková, Lucie Čechová, Zlatko Janeba, Martin Dračínský (Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Prague, Czech Republic) COMBINED NMR/EPR/DFT STUDY ON ELECTRON DENSITY PUSH-PULL PROCESS IN 5-NITROSOPYRIMIDINES FL-22 FL-23 C-24 C-25 11: Coffee break SESSION VIII (Chairman: Marek Potrzebowski) Piotr Młynarz 11:45 12:15 (Bioorganic Chemistry Group, Department of Chemistry, Wroclaw University of Technology, Wroclaw, Poland) IS NMR SPECTROSCOPY-BASED METABOLOMICS A FUTURE FOR VETERINARY DIAGNOSIS? L-26

6 : Lech Kozerski, Beata Naumczuk, Robert Kawęcki, Wojciech Bocian, Elżbieta Bednarek, Jerzy Sitkowski (Institute of Organic Chemistry, Polish Academy of Sciences, Warsaw, Poland) THE TARGETED CHEMOTHERAPY USING NEW GENERATION OF TOP I INHIBITORS FROM CAMPTOTHECIN FAMILY ALKYLATING DNA (PRESENTATION OF BRUKER REPRESANTIVE) Bruker Polska Sp. z o.o.ul. Budziszynska 69, Poznan POLAND L-27 L-28 CLOSING REMARKS 13: Jarosław Jaźwiński (Chairman of the Organizing Committee) Sławomir Jarosz (Director of the Institute of Organic Chemistry, Polish Academy of Sciences) Lunch